REMARK Name = BDB029310 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.403 -0.078 -0.791 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.417 0.453 -2.103 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -2.231 0.627 -2.843 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.036 0.250 -2.235 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.362 0.317 -2.756 0.00 0.00 +0.150 C ATOM 6 N LIG 1 1.161 -0.230 -1.667 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.359 -0.577 -0.574 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.650 -1.032 0.517 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.028 -0.274 -0.948 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -2.182 -0.448 -0.207 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.573 -0.371 -1.762 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.323 -0.987 -0.747 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.730 -1.135 -0.798 0.00 0.00 -0.039 A ATOM 14 C LIG 1 5.370 -0.614 -1.936 0.00 0.00 +0.004 A ATOM 15 C LIG 1 4.654 -0.007 -2.965 0.00 0.00 +0.002 A ATOM 16 C LIG 1 3.266 0.108 -2.880 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.553 -1.833 0.408 0.00 0.00 +0.005 C ATOM 18 C LIG 1 4.925 -3.166 0.953 0.00 0.00 +0.030 C ATOM 19 C LIG 1 6.308 -3.846 0.911 0.00 0.00 +0.093 C ATOM 20 C LIG 1 6.804 -2.696 0.013 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 6.971 -3.995 2.190 0.00 0.00 +0.066 C ATOM 22 N LIG 1 7.481 -4.118 3.225 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 5.799 -0.802 1.537 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 6.583 0.380 1.075 0.00 0.00 +0.134 A ATOM 25 N LIG 1 6.106 1.662 0.981 0.00 0.00 -0.320 N ATOM 26 C LIG 1 4.793 2.141 1.317 0.00 0.00 +0.151 C ATOM 27 C LIG 1 7.129 2.412 0.489 0.00 0.00 +0.224 A ATOM 28 N LIG 1 8.178 1.649 0.294 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 7.838 0.372 0.669 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -2.243 1.198 -4.235 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -3.482 1.542 -4.679 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.479 2.320 -4.337 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.741 0.326 -5.152 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -4.697 -0.252 -0.017 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 -7.763 -1.249 2.687 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -7.111 -0.128 1.865 0.00 0.00 -0.000 C ATOM 37 C LIG 1 -5.621 -0.004 2.238 0.00 0.00 +0.088 C ATOM 38 N LIG 1 -4.733 0.551 1.211 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 -4.878 1.986 0.981 0.00 0.00 +0.085 C ATOM 40 C LIG 1 -6.269 2.494 0.593 0.00 0.00 +0.015 C ATOM 41 C LIG 1 -7.242 2.491 1.764 0.00 0.00 +0.002 C ATOM 42 C LIG 1 -7.930 1.161 2.046 0.00 0.00 +0.004 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8